UCSF

ZINC20026836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.24 4.34 -27.4 1 4 1 25 231.323 2
Hi High (pH 8-9.5) 1.24 3.93 -9.55 0 4 0 24 230.315 2
Mid Mid (pH 6-8) 1.24 6.81 -78.53 2 4 2 26 232.331 2
Mid Mid (pH 6-8) 1.24 6.4 -40.28 1 4 1 25 231.323 2
Mid Mid (pH 6-8) 1.24 6.26 -33.85 1 4 1 25 231.323 2
Mid Mid (pH 6-8) 1.24 6.67 -97.39 2 4 2 26 232.331 2

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )